N-{N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Chemical Structure Depiction of
N-{N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
N-{N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide
Compound characteristics
| Compound ID: | L086-1399 |
| Compound Name: | N-{N'-(3-bromophenyl)-N-[(pyridin-2-yl)methyl]carbamimidoyl}-3-methoxybenzamide |
| Molecular Weight: | 439.31 |
| Molecular Formula: | C21 H19 Br N4 O2 |
| Smiles: | COc1cccc(c1)C(NC(/NCc1ccccn1)=N/c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9679 |
| logD: | 3.8079 |
| logSw: | -4.2041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.938 |
| InChI Key: | RFYMMQJFIPAETH-UHFFFAOYSA-N |